⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3063339 | 1.00 | — | — | |
| SCHEMBL16196894 | 1.00 | — | — | |
| SCHEMBL28631827 | 0.83 | GAA (0.53) | — | |
| SCHEMBL17577099 | 0.83 | GAA (0.53) | — | |
| SCHEMBL17621317 | 0.81 | LMNA (0.46) | — | |
| SCHEMBL2378467 | 0.81 | LMNA (0.46) | — | |
| SCHEMBL11971336 | 0.81 | LMNA (0.46) | — | |
| SCHEMBL15800186 | 0.78 | — | — | |
| SCHEMBL22719917 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL22719904 | 0.78 | ALDH1A1 (0.46) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143210-A | Novel triazolone derivative or salt thereof and pharmaceutical composition containing the same | YUHAN CORP | 2015-12-09 | — | — | CN | disclosed |
| US-20100272680-A1 | Piperidinyl Cyclic Amido Antiviral Agents | BASKARAN SUBRAMANIAN | 2010-10-28 | — | — | US | disclosed |
| WO-2010091411-A1 | PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2010-08-12 | — | — | WO | disclosed |